Geometry & MOs

Info

ID:	298314
PubChem CID:	117648294
Reduced:	FS2O4H17C21 (1)
Stoich.:	AB2C4D17E21 (1)
Weight, g/mol:	438.020736
ΔH_f, kcal/mol:	-127.22
Dipole, Da:	1.77
IP(EA), eV:	-9.0(-1.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-prop-2-enoylsulfanylphenyl) 4-prop-2-enoylsulfanyl-2-(trifluoromethyl)benzoate

Drug info:

PubChemData

Smile

CC(=C)C(=O)SC1=CC=C(C=C1)OC(=O)C2=CC(=C(C=C2)SC(=O)C(=C)C)F

DOS

IR

Vibrations